1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine

C12H23NO — CID 115907989

IUPAC1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine
SMILESCCC1(NCC2CCCOC2)CCC1
InChIInChI=1S/C12H23NO/c1-2-12(6-4-7-12)13-9-11-5-3-8-14-10-11/h11,13H,2-10H2,1H3
InChIKeyLSTFAENHNPHFCP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds4

About 1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine

1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine (PubChem CID 115907989) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine
PubChem CID115907989
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine
SMILESCCC1(NCC2CCCOC2)CCC1
InChIInChI=1S/C12H23NO/c1-2-12(6-4-7-12)13-9-11-5-3-8-14-10-11/h11,13H,2-10H2,1H3
InChIKeyLSTFAENHNPHFCP-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(oxan-3-ylmethylamino)cyclopropyl]methanol
CID 115909437
1-methyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
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1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
[1-(oxolan-3-ylmethylamino)cyclohexyl]methanol
CID 62520251
N-(cyclopentylmethyl)-3-ethyloxetan-3-amine
CID 165459677
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
N-(oxan-3-ylmethyl)-2-propoxyethanamine
CID 106451725
1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid
CID 82238366
N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887846
N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine (CID 115907989) is 1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine is CCC1(NCC2CCCOC2)CCC1.
What is the InChIKey of 1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is LSTFAENHNPHFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-12(6-4-7-12)13-9-11-5-3-8-14-10-11/h11,13H,2-10H2,1H3.
What are the key properties of 1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine?
1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 115907989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).